1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-[(2R)-4-methoxy-4-methylpentan-2-yl]urea

C14H22N4O2S — CID 96520050

IUPAC1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-[(2R)-4-methoxy-4-methylpentan-2-yl]urea
SMILESCOC(C)(C)C[C@@H](C)NC(=O)NCc1cn2ccsc2n1
InChIInChI=1S/C14H22N4O2S/c1-10(7-14(2,3)20-4)16-12(19)15-8-11-9-18-5-6-21-13(18)17-11/h5-6,9-10H,7-8H2,1-4H3,(H2,15,16,19)/t10-/m1/s1
InChIKeyHSCUITCEPJBFBR-SNVBAGLBSA-N
MW310.42 g/mol
LogP2.40
Rot. Bonds6

About 1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-[(2R)-4-methoxy-4-methylpentan-2-yl]urea

1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-[(2R)-4-methoxy-4-methylpentan-2-yl]urea (PubChem CID 96520050) has the molecular formula C14H22N4O2S and a molecular weight of 310.42 g/mol. Its IUPAC name is 1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-[(2R)-4-methoxy-4-methylpentan-2-yl]urea.

Molecular Properties

Compound Name1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-[(2R)-4-methoxy-4-methylpentan-2-yl]urea
PubChem CID96520050
Molecular FormulaC14H22N4O2S
Molecular Weight310.42 g/mol
Exact Mass310.15
IUPAC Name1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-[(2R)-4-methoxy-4-methylpentan-2-yl]urea
SMILESCOC(C)(C)C[C@@H](C)NC(=O)NCc1cn2ccsc2n1
InChIInChI=1S/C14H22N4O2S/c1-10(7-14(2,3)20-4)16-12(19)15-8-11-9-18-5-6-21-13(18)17-11/h5-6,9-10H,7-8H2,1-4H3,(H2,15,16,19)/t10-/m1/s1
InChIKeyHSCUITCEPJBFBR-SNVBAGLBSA-N
XLogP2.40
TPSA67.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylcarbamoylamino)-N-phenylpropanamide
CID 166203175
2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)-N-propan-2-ylacetamide
CID 115278968
2-cyclopropyl-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylcarbamoylamino)propanoic acid
CID 115331403
methyl 2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)acetate
CID 115331415
N-[2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)-2-oxoethyl]-2,2-dimethylpropanamide
CID 134027782
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)butan-2-amine
CID 81333805
N-(2-hydroxy-2,4-dimethylpentyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
CID 66179467
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-methoxybutan-2-amine
CID 115713221
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2,3,3-trimethylbutan-1-amine
CID 83142775
methyl 2-hydroxy-3-imidazo[2,1-b][1,3]thiazol-6-ylpropanoate
CID 115332918
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-methoxybenzamide
CID 3658662
methyl 2-chloro-3-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)propanoate
CID 103491939

Frequently Asked Questions

What is the IUPAC name of 1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-[(2R)-4-methoxy-4-methylpentan-2-yl]urea?
The IUPAC name of 1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-[(2R)-4-methoxy-4-methylpentan-2-yl]urea (CID 96520050) is 1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-[(2R)-4-methoxy-4-methylpentan-2-yl]urea.
What is the SMILES notation for 1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-[(2R)-4-methoxy-4-methylpentan-2-yl]urea?
The canonical SMILES for 1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-[(2R)-4-methoxy-4-methylpentan-2-yl]urea is COC(C)(C)C[C@@H](C)NC(=O)NCc1cn2ccsc2n1.
What is the InChIKey of 1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-[(2R)-4-methoxy-4-methylpentan-2-yl]urea?
The InChIKey is HSCUITCEPJBFBR-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H22N4O2S/c1-10(7-14(2,3)20-4)16-12(19)15-8-11-9-18-5-6-21-13(18)17-11/h5-6,9-10H,7-8H2,1-4H3,(H2,15,16,19)/t10-/m1/s1.
What are the key properties of 1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-[(2R)-4-methoxy-4-methylpentan-2-yl]urea?
1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-[(2R)-4-methoxy-4-methylpentan-2-yl]urea has a molecular weight of 310.42 g/mol, XLogP of 2.40, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-[(2R)-4-methoxy-4-methylpentan-2-yl]urea is sourced from PubChem (CID 96520050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).